Chemical ID: 4384865

c1ccc(cc1)CCCC(=O)Nc2cccc(c2)C(=O)O
Chemical ID:
4384865
Name [?]:
3-(4-phenylbutanoylamino)benzoic acid
SMILES [?]:
c1ccc(cc1)CCCC(=O)Nc2cccc(c2)C(=O)O
InChi [?]:
InChI=1/C17H17NO3/c19-16(11-4-8-13-6-2-1-3-7-13)18-15-10-5-9-14(12-15)17(20)21/h1-3,5-7,9-10,12H,4,8,11H2,(H,18,19)(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,8,15,3,5,7,16,14,9,18,4,17,13,10,19,12,11,20,21/E:(2,3)(6,7)(20,21)/rA:21nCCCCCCCCCCONCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s17;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17NO3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.44152
Area:506.542
Solvation:-3.22202
Coulombic:-48.9687
Bond Count [?]
All:22
Single:14
Double:8
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:283.322
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.16
LogP (Chemaxon):3.53

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Descriptor Annotations

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